Commit 511f9131 by Francois Gygi

Removed implementation of quadratic corrections to exchange.


git-svn-id: http://qboxcode.org/svn/qb/trunk@1742 cba15fb0-1239-40c8-b417-11db7ca47a34
parent d1707f9c
......@@ -19,7 +19,6 @@
#include "Sample.h"
#include "SlaterDet.h"
#include "FourierTransform.h"
#include "KPGridConnectivity.h"
#ifndef EXCHANGEOPERATOR_H
#define EXCHANGEOPERATOR_H
......@@ -53,10 +52,6 @@ class ExchangeOperator
void apply_VXC_(double mix, Wavefunction& wf_ref,
Wavefunction& dwf_ref, Wavefunction& dwf);
// Connectivity of the kpoint Grid
KPConnectivity KPGridPerm_;
KPConnectivity KPGridStat_;
// basis for pair densities
Basis* vbasis_;
int np0v_, np1v_, np2v_;
......
......@@ -27,7 +27,7 @@ OBJECTS=qb.o AtomSet.o Atom.o Species.o \
ChargeDensity.o UserInterface.o RunCmd.o \
LoadCmd.o SaveCmd.o \
SpeciesCmd.o SpeciesReader.o SpeciesHandler.o \
XCOperator.o ExchangeOperator.o Bisection.o KPGridConnectivity.o \
XCOperator.o ExchangeOperator.o Bisection.o \
XCPotential.o LDAFunctional.o VWNFunctional.o \
PBEFunctional.o BLYPFunctional.o B3LYPFunctional.o \
NonLocalPotential.o SampleReader.o StructuredDocumentHandler.o \
......@@ -346,11 +346,11 @@ ExchangeOperator.o: VectorLess.h ExchangeOperator.h Sample.h AtomSet.h
ExchangeOperator.o: Context.h Atom.h D3vector.h UnitCell.h D3tensor.h blas.h
ExchangeOperator.o: ConstraintSet.h ExtForceSet.h Wavefunction.h Control.h
ExchangeOperator.o: SlaterDet.h Basis.h Matrix.h Timer.h FourierTransform.h
ExchangeOperator.o: KPGridConnectivity.h Bisection.h
ExchangeOperator.o: Bisection.h
ExchangeOperator.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
ExchangeOperator.o: D3tensor.h blas.h ConstraintSet.h ExtForceSet.h
ExchangeOperator.o: Wavefunction.h Control.h SlaterDet.h Basis.h Matrix.h
ExchangeOperator.o: Timer.h FourierTransform.h KPGridConnectivity.h
ExchangeOperator.o: Timer.h FourierTransform.h
ExtForce.o: ExtForce.h D3vector.h
ExtForceCmd.o: UserInterface.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
ExtForceCmd.o: UnitCell.h D3tensor.h blas.h ConstraintSet.h ExtForceSet.h
......@@ -393,14 +393,6 @@ JDWavefunctionStepper.o: Control.h Preconditioner.h
JDWavefunctionStepper.o: WavefunctionStepper.h Timer.h Wavefunction.h
JDWavefunctionStepper.o: D3vector.h UnitCell.h
kpgen.o: D3vector.h
KPGridConnectivity.o: KPGridConnectivity.h Sample.h AtomSet.h Context.h
KPGridConnectivity.o: Atom.h D3vector.h UnitCell.h D3tensor.h blas.h
KPGridConnectivity.o: ConstraintSet.h ExtForceSet.h Wavefunction.h Control.h
KPGridConnectivity.o: SlaterDet.h Basis.h Matrix.h Timer.h
KPGridConnectivity.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h
KPGridConnectivity.o: UnitCell.h D3tensor.h blas.h ConstraintSet.h
KPGridConnectivity.o: ExtForceSet.h Wavefunction.h Control.h SlaterDet.h
KPGridConnectivity.o: Basis.h Matrix.h Timer.h
KpointCmd.o: UserInterface.h D3vector.h Sample.h AtomSet.h Context.h Atom.h
KpointCmd.o: UnitCell.h D3tensor.h blas.h ConstraintSet.h ExtForceSet.h
KpointCmd.o: Wavefunction.h Control.h
......@@ -719,7 +711,7 @@ XCOperator.o: XCOperator.h Sample.h AtomSet.h Context.h Atom.h D3vector.h
XCOperator.o: UnitCell.h D3tensor.h blas.h ConstraintSet.h ExtForceSet.h
XCOperator.o: Wavefunction.h Control.h ChargeDensity.h Timer.h XCPotential.h
XCOperator.o: ExchangeOperator.h SlaterDet.h Basis.h Matrix.h
XCOperator.o: FourierTransform.h KPGridConnectivity.h
XCOperator.o: FourierTransform.h
XCOperator.o: Sample.h AtomSet.h Context.h Atom.h D3vector.h UnitCell.h
XCOperator.o: D3tensor.h blas.h ConstraintSet.h ExtForceSet.h Wavefunction.h
XCOperator.o: Control.h
......
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